SCHEMBL7339972

SCHEMBL7339972

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.57
▸ CTSL P07711 2/20 0.57
▸ CTSK P43235 4/20 0.56
▸ IL1RN P18510 1/20 0.53
▸ ERAP2 Q6P179 1/20 0.53
▸ ERAP1 Q9NZ08 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ REN P00797 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CBX4 O00257 2/20 0.50
▸ CBX7 O95931 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7339964 1.00 CTSS (0.57) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7345719 0.95 CTSK (0.58) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7339988 0.95 CTSK (0.58) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7335812 0.94 CTSK (0.57) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7335815 0.94 CTSK (0.57) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7341796 0.93 CTSK (0.62) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7341802 0.93 CTSK (0.62) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7338752 0.93 GAA (0.61) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7338757 0.93 GAA (0.61) CTSSCTSLCTSKIL1RNERAP2
SCHEMBL7344529 0.92 CTSS (0.56) CTSSCTSLCTSKIL1RNERAP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 — — US disclosed
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